SCHEMBL6803602

SCHEMBL6803602

O=C(NC1CCC(c2ccc(O)cc2O)CC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ADRA2A P08913 1/20 0.48
MCHR1 Q99705 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.47
KCNH2 Q12809 1/20 0.47
GAA P10253 3/20 0.47
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6803601 1.00 KMT2A (0.53) KMT2AADRA2AMCHR1NPC1RAB9A
SCHEMBL29077532 0.86 KMT2A (0.61) KMT2AADRA2AMCHR1NPC1RAB9A
SCHEMBL6804810 0.83 MEN1 (0.52) KMT2AMCHR1NPC1RAB9AMEN1
SCHEMBL6804807 0.83 MEN1 (0.52) KMT2AMCHR1NPC1RAB9AMEN1
SCHEMBL6321963 0.80 POLB (0.67) KMT2ANPC1RAB9APOLBMEN1
SCHEMBL16372164 0.78 PKM (0.63) KMT2AADRA2AMCHR1POLBMEN1
SCHEMBL8232352 0.77 SMN1; SMN2 (0.56) KMT2ANPC1RAB9APOLBMEN1
SCHEMBL11493127 0.77 KMT2A (0.55) KMT2AADRA2AMCHR1POLBMEN1
SCHEMBL15272872 0.77 KDM1A (0.57) KMT2AADRA2AMCHR1POLBMEN1
SCHEMBL5361089 0.77 CA2 (0.50) KMT2AMEN1GAALMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US claimed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US claimed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 US claimed
US-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 KMT2A 2259/4885ADRA2A 417/4885MCHR1 770/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 KMT2A 2259/4885ADRA2A 417/4885MCHR1 770/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.